Carmofur

The CAS register number of Carmofur is 61422-45-5. It also can be called as 5-Fluoro-1-hexylcarbamoyluracil and the IUPAC name about this chemical is 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide. The molecular formula about this chemical is C₁₁H₁₆FN₃O₃ and the molecular weight is 257.26. It belongs to the Pharmaceutical material and intermeidates. If you want to store this chemical, please keep it in a closed container and store it in a cll, dry place. When you are using it, please avoid contact with water. This chemical is a pyrimidine analogue used as an antineoplastic agent. It is a derivative of fluorouracil. It has also been used as adjuvant chemotherapy for curatively resected colorectal cancer patients. Trials and meta-analyses have confirmed that the drug is effective on patients with this cancer type, extending their survival.

Physical properties about Carmofur are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 50.88; (5)ACD/BCF (pH 7.4): 9.94; (6)ACD/KOC (pH 5.5): 570.41; (7)ACD/KOC (pH 7.4): 111.38; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 60.93Ų; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 62.26 cm³; (14)Molar Volume: 203.1 cm³; (15)Polarizability: 24.68x10^-24cm³; (16)Surface Tension: 47.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)C(\F)=C/N1C(=O)NCCCCCC
(2)InChI: InChI=1/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
(3)InChIKey: AOCCBINRVIKJHY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
(5)Std. InChIKey: AOCCBINRVIKJHY-UHFFFAOYSA-N

The toxicity data is as follows: